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A wide class of coupled-cluster methods is introduced, based on Arponen's extended coupled-cluster theory. This class of methods is formulated in terms of a coordinate transformation of the cluster operators. The mathematical framework for…

Chemical Physics · Physics 2020-12-02 Simen Kvaal , Andre Laestadius , Tilmann Bodenstein

Arguably the most widely used approaches for obtaining highly accurate molecular ground-state energies are coupled cluster methods. Despite introducing two layers of approximation, a linear and a nonlinear one, coupled cluster methods…

Numerical Analysis · Mathematics 2026-05-22 Jonas Beck , Benjamin Stamm

While coupled cluster theory accurately models weakly correlated quantum systems, it often fails in the presence of strong correlations where the standard mean-field picture is qualitatively incorrect. In many cases, these failures can be…

Nuclear Theory · Physics 2020-05-14 Y. Qiu , T. M. Henderson , T. Duguet , G. E. Scuseria

A general quantum many-body theory in configuration space is developed by extending the traditional coupled cluter method (CCM) to a variational formalism. Two independent sets of distribution functions are introduced to evaluate the…

Strongly Correlated Electrons · Physics 2009-11-07 Y. Xian

The ground state pairing correlations in finite fermionic systems are described with a high degree of accuracy within a variational approach based on a combined coupled-cluster and particle-number-projected BCS ansatz. The flexibility of…

Nuclear Theory · Physics 2021-06-02 V. V. Baran , J. Dukelsky

We present an extension of the pair coupled cluster doubles (p-CCD) method to quasiparticles and apply it to the attractive pairing Hamiltonian. Near the transition point where number symmetry gets spontaneously broken, the proposed…

The coupled cluster method (CCM) is a method of quantum many-body theory that may provide accurate results for the ground-state properties of lattice quantum spin systems even in the presence of strong frustration and for lattices of…

Strongly Correlated Electrons · Physics 2009-11-11 D. J. J. Farnell , J. Schulenburg , J. Richter , K. A. Gernoth

The coupled cluster method has been applied to the eigenvalue problem lattice Hamiltonian QCD (without quarks) for SU(2) gauge fields in two space dimensions. Using a recently presented new formulation and the truncation prescription of Guo…

High Energy Physics - Lattice · Physics 2007-05-23 D. Schuette , A. Wichmann , C. Weichmann

This work outlines an exact combinatorial approach to finite coagulating systems through recursive equations and use of generating function method. In the classic approach the mean-field Smoluchowski coagulation is used. However, the…

Statistical Mechanics · Physics 2021-04-16 Michał Łepek , Paweł Kukliński , Agata Fronczak , Piotr Fronczak

Quantum periodic cluster methods for strongly correlated electron systems are reformulated and developed. The reformulation and development are based on a canonical transformation which periodizes the fermions in the cluster space. The…

Strongly Correlated Electrons · Physics 2007-05-23 Tran Minh-Tien

In this tutorial-style review we discuss basic concepts of coupled cluster theory and recent developments that increase its computational efficiency for calculations of molecules, solids and materials in general. We will touch upon the…

Materials Science · Physics 2020-04-15 Igor Ying Zhang , Andreas Grüneis

We formulate a new Hartree-Fock-Bogoliubov method applicable to weakly bound deformed nuclei using the coordinate-space Green's function technique. An emphasis is put on treatment of quasiparticle states in the continuum, on which we impose…

Nuclear Theory · Physics 2009-12-17 Hiroshi Oba , Masayuki Matsuo

The new class of alternating-conjugate splitting methods is presented and analyzed. They are obtained by concatenating a given composition involving complex coefficients with the same composition but with the complex conjugate coefficients.…

Numerical Analysis · Mathematics 2025-12-19 J. Bernier , S. Blanes , F. Casas , A. Escorihuela-Tomàs

The BCS and/or HFB theories are extended by treating the effect of four quasi-particle states perturbatively. The approach is tested on the pairing hamiltonian, showing that it combines the advantage of standard perturbation theory valid at…

Nuclear Theory · Physics 2015-06-05 Denis Lacroix , Danilo Gambacurta

The coupled cluster method (CCM) is one of the most successful and universally applicable techniques in quantum many-body theory. The intrinsic nonlinear and non-perturbative nature of the method is considered to be one of its advantages.…

High Energy Physics - Theory · Physics 2007-05-23 Amir H. Rezaeian , Niels R. Walet

We consider the sampling of the coupled cluster expansion within stochastic coupled cluster theory. Observing the limitations of previous approaches due to the inherently non-linear behaviour of a coupled cluster wavefunction representation…

Chemical Physics · Physics 2018-08-14 Charles J. C. Scott , Alex J. W. Thom

The ground state of a general pairing Hamiltonian for a finite nuclear system is constructed as a product of collective, real, distinct pairs. These are determined sequentially via an iterative variational procedure that resorts to…

Nuclear Theory · Physics 2015-06-05 M. Sambataro

We propose a streamlined combination scheme of the transcorrelation (TC) and coupled cluster (CC) theory, which not only increases the convergence rate with respect to the basis set, but also extends the applicability of the lowest order CC…

Strongly Correlated Electrons · Physics 2021-07-28 Ke Liao , Thomas Schraivogel , Hongjun Luo , Daniel Kats , Ali Alavi

We present a coupled cluster method (CCM) with optimized excitation operators. The efficiency comes from a parameterized form of excitation operators. The parameters are found by variational optimization procedure. The resultant number of…

Strongly Correlated Electrons · Physics 2014-12-09 Quanlin Jie

Coupled cluster theory is the method of choice for weakly correlated systems. But in the strongly correlated regime, it faces a symmetry dilemma, where it either completely fails to describe the system, or has to artificially break certain…

Chemical Physics · Physics 2020-05-14 Yiheng Qiu , Thomas M. Henderson , Jinmo Zhao , Gustavo E. Scuseria
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